Geometry & MOs

Info

ID:	192566
PubChem CID:	78286796
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	350.153838
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	3.15
IP(EA), eV:	-8.62(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-(azocan-1-ium-1-ylmethyl)-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C(C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCCCCC3

DOS

IR

Vibrations